2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine

C6H11N3OS — CID 15592303

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine
SMILESCc1nnc(CSCCN)o1
InChIInChI=1S/C6H11N3OS/c1-5-8-9-6(10-5)4-11-3-2-7/h2-4,7H2,1H3
InChIKeyFUAMSXKJHDCVBG-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.57
Rot. Bonds4

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine (PubChem CID 15592303) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine
PubChem CID15592303
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine
SMILESCc1nnc(CSCCN)o1
InChIInChI=1S/C6H11N3OS/c1-5-8-9-6(10-5)4-11-3-2-7/h2-4,7H2,1H3
InChIKeyFUAMSXKJHDCVBG-UHFFFAOYSA-N
XLogP0.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine (CID 15592303) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine is Cc1nnc(CSCCN)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine?
The InChIKey is FUAMSXKJHDCVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-5-8-9-6(10-5)4-11-3-2-7/h2-4,7H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine has a molecular weight of 173.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethanamine is sourced from PubChem (CID 15592303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).